JANA2020 Workshop @ MLZ

Europe/Berlin
Raum A (GATE Garching)

Raum A

GATE Garching

Lichtenbergstraße 8, 85748 Garching bei München
Anatoliy Senyshyn, Martin Meven (RWTH Aachen University, Institute of Crystallography - Outstation at MLZ), Neelima Paul (Technical University of Munich, Heinz Maier-Leibnitz Zentrum (MLZ))
Description

We would like to announce 5th Jana workshop in Garching, organised by MLZ Science Group “Structure Research” and the Data Evaluation Group. After series of very successful Jana2006 workshops in 2014, 2017 and Jana2020 in 2022, we are happy to welcome Vaclav Petricek and colleagues back in Garching.

Main topic of the Workshop: recent developments and new functionalities of Jana2020 - a crystallographic program dedicated on solution, refinement and interpretation of complex and modulated structures. The program deals with various diffraction data including single crystal and powder data as well as X-rays and neutron as sources, which can be analysed either separately or in combination.Besides the functionalities for structure solution, Jana2020 can handle multi-phase structures (in both powder and single crystal data analysis modes), merohedric twins as well as twins with partial overlap of diffraction spots, commensurate and composite structures. Jana2020 deals with magnetic symmetries and, in general, contains a number of powerful transformation tools for symmetry (group-subgroup relations), cell parameters and commensurate-supercell transformations along with a wide scale of constrains and restrains, rigid body definition and possibility to define a local symmetry affecting only part of the structure. 

Registration
Participants
    • 9:00 AM 5:30 PM
      Day 1: session
      • 9:00 AM
        Welcome & Organisational details 10m
      • 9:10 AM
        Dr. M. Dušek – Introduction to Jana2020 50m
      • 10:00 AM
        Coffee break 30m
      • 10:30 AM
        Hands-on tutorial „First steps with Jana2020“ 2h

        Example 01.1: Zn | Solution of a simple crystal structure from single crystal data
        Example 02.1.1: PbSO4 | Simple inorganic structure from powder

      • 12:30 PM
        Lunch break 1h
      • 1:30 PM
        Dr. M. Henriques – Magnetic structures in Jana2020 1h
      • 2:30 PM
        Hands-on tutorial „Magnetic structures, Part 1“ 1h

        Example 12.1: Ba5Co5 |powder data, k=0
        Example 12.2: Ba6Co6 |powder data, k=(0,0,1/2)
        Example 12.1: Ba5Co5 |Jana2020 – ISODISTORT communication
        Example 12.5: HoNi |single crystal data, k=(0,0,1)

      • 3:30 PM
        Coffee break 30m
      • 4:00 PM
        Hands-on tutorial „Magnetic structures, Part 1“ (continuation) 1h 30m

        Example 12.1: Ba5Co5 |powder data, k=0
        Example 12.2: Ba6Co6 |powder data, k=(0,0,1/2)
        Example 12.1: Ba5Co5 |Jana2020 – ISODISTORT communication
        Example 12.5: HoNi |single crystal data, k=(0,0,1)

    • 9:00 AM 6:00 PM
      Day 2: session
      • 9:00 AM
        Dr. V. Petricek – Introduction to modulated structures 1h
      • 10:00 AM
        Hands-on tutorial „First steps with modulated structures“ 1h

        Example 5.2: Na2CO3 | Simple incommensurately modulated structure from single crystal data
        Example xxx – commensurate Na2CO3

      • 11:00 AM
        Coffee break 30m
      • 11:30 AM
        Hands-on tutorial „First steps with modulated structures“ (continued) 1h

        Example 5.2: Na2CO3 | Simple incommensurately modulated structure from single crystal data
        Example xxx – commensurate Na2CO3

      • 12:30 PM
        Lunch break 1h
      • 1:30 PM
        Dr. M. Henriques – magnetic symmetry in superspace 1h
      • 2:30 PM
        Hands-on tutorial „Magnetic structures, Part 2“ 1h

        Example 12.4: MnWO4 |powder data, k=(-0.209,0.5,0.453)
        Example 12.7: DyMn6Ge6 |powder data, k0=0 and k1=(0,0,0.1651)

      • 3:30 PM
        Coffee break 30m
      • 4:00 PM
        Hands-on tutorial „Magnetic structures, Part 2“ (continued) 1h

        Example 12.4: MnWO4 |powder data, k=(-0.209,0.5,0.453)
        Example 12.7: DyMn6Ge6 |powder data, k0=0 and k1=(0,0,0.1651)

    • 9:00 AM 2:30 PM
      Day 3: session
      • 9:00 AM
        Dr. V. Petricek – Twinned structures in Jana2020 1h
      • 10:00 AM
        Hands-on tutorial „Twins“ 30m

        Example 3.1: AD3 – a simple pseudomerohedric twin
        Example 3.3: CsLiSO4 – a three-fold pseudomerohedric twin with unexpected unit cell
        Example 07.1: Ephedrine | Commensurately modulated structure with merohedric twinning

      • 10:30 AM
        Coffee break 30m
      • 11:00 AM
        Hands-on tutorial „Twins“ (continued) 1h 30m

        Example 3.1: AD3 – a simple pseudomerohedric twin
        Example 3.3: CsLiSO4 – a three-fold pseudomerohedric twin with unexpected unit cell
        Example 07.1: Ephedrine | Commensurately modulated structure with merohedric twinning

      • 12:30 PM
        Lunch break 1h
      • 1:30 PM
        Discussion & Wrap-up 1h